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Information card for entry 7052568
Preview
| Coordinates | 7052568.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C16 H14 N2 O2 |
|---|---|
| Calculated formula | C16 H14 N2 O2 |
| SMILES | C(=O)(C1=CCC(C(C#N)(C1)C#N)c1ccccc1)OC |
| Title of publication | Amphiphilic allylation of activated alkenes by allyl acetates and allylstannanes catalyzed by palladium nanoparticles: an easy access to stereodefined substituted cyclohexene derivatives |
| Authors of publication | Adak, Laksmikanta; Bhadra, Sukalyan; Chattopadhyay, Kalicharan; Ranu, Brindaban C. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 2 |
| Pages of publication | 430 |
| a | 11.2763 ± 0.0014 Å |
| b | 7.4688 ± 0.0009 Å |
| c | 17.26 ± 0.002 Å |
| α | 90° |
| β | 103.039 ± 0.003° |
| γ | 90° |
| Cell volume | 1416.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.882 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7052568.cif |
| 180079 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/25. |
7052568.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052568.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052568.cif |
| 14956 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7052568, 7052569 via cif-deposit CGI script. |
7052568.cif |
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Users of the data should acknowledge the original authors of the
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